(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid

C19H33N3O5 — CID 67481814

IUPAC(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid
SMILESCOC[C@H](CCN1CCC2(CC2)[C@H](O)C1)N1C[C@@H](C)N(C(=O)O)CCC1=O
InChIInChI=1S/C19H33N3O5/c1-14-11-22(17(24)4-9-21(14)18(25)26)15(13-27-2)3-8-20-10-7-19(5-6-19)16(23)12-20/h14-16,23H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16-/m1/s1
InChIKeyWWOCEHQJBVWEMQ-OWCLPIDISA-N
MW383.49 g/mol
LogP0.84
Rot. Bonds6

About (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid

(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid (PubChem CID 67481814) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid
PubChem CID67481814
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid
SMILESCOC[C@H](CCN1CCC2(CC2)[C@H](O)C1)N1C[C@@H](C)N(C(=O)O)CCC1=O
InChIInChI=1S/C19H33N3O5/c1-14-11-22(17(24)4-9-21(14)18(25)26)15(13-27-2)3-8-20-10-7-19(5-6-19)16(23)12-20/h14-16,23H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16-/m1/s1
InChIKeyWWOCEHQJBVWEMQ-OWCLPIDISA-N
XLogP0.84
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 59149844
N-(3,4-dichlorophenyl)-4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 72529282
N-(3-chlorophenyl)-4-[(2R)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 67080831
4-[(2S)-5-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-1-methoxypentan-2-yl]-1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-5-one
CID 67184710
4-[(2R)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxypentan-2-yl]-1-[3-(trifluoromethyl)phenyl]-1,4-diazepan-5-one
CID 67184708
tert-butyl 4-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylate
CID 67080790
4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
CID 68537090
benzyl (2S)-4-[(2S)-1-acetyloxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67080089
[(2S)-2-[(3S)-4-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-2-oxopiperazin-1-yl]-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butyl] methyl carbonate
CID 59149868
methyl 2-[4-(3,4-dichlorophenyl)-7-oxo-1,4-diazepan-1-yl]-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butanoate
CID 66783050
1-(3-chlorophenyl)-4-[1-hydroxy-4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)butan-2-yl]-1,4-diazepan-5-one
CID 75089816
benzyl (2S)-4-[(2S)-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxy-5-oxopentan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 67074363

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid?
The IUPAC name of (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid (CID 67481814) is (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid is COC[C@H](CCN1CCC2(CC2)[C@H](O)C1)N1C[C@@H](C)N(C(=O)O)CCC1=O.
What is the InChIKey of (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid?
The InChIKey is WWOCEHQJBVWEMQ-OWCLPIDISA-N. The full InChI is InChI=1S/C19H33N3O5/c1-14-11-22(17(24)4-9-21(14)18(25)26)15(13-27-2)3-8-20-10-7-19(5-6-19)16(23)12-20/h14-16,23H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16-/m1/s1.
What are the key properties of (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid?
(2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid has a molecular weight of 383.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2S)-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-1-methoxybutan-2-yl]-2-methyl-5-oxo-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 67481814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).